N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine

C12H20N4O2 — CID 66018457

IUPACN-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(NC2CC2(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O2/c1-5-6-8-10(16(17)18)11(15(4)14-8)13-9-7-12(9,2)3/h9,13H,5-7H2,1-4H3
InChIKeySCXWRGWINRMNFC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.49
Rot. Bonds5

About N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine

N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine (PubChem CID 66018457) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
PubChem CID66018457
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(NC2CC2(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O2/c1-5-6-8-10(16(17)18)11(15(4)14-8)13-9-7-12(9,2)3/h9,13H,5-7H2,1-4H3
InChIKeySCXWRGWINRMNFC-UHFFFAOYSA-N
XLogP2.49
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295
1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine
CID 66017867
1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)cycloheptane-1,2-diamine
CID 66017704
3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine
CID 79362830
1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine
CID 114504856
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017659
N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66016680
N-(2-cyclopropylethyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66018276
N-(1,1-dioxothian-3-yl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017880
3-ethoxy-2-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)cyclobutane-1,2-diamine
CID 66197460
N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66014763
1-methyl-4-nitro-3-propyl-N-pyrrol-1-ylpyrazol-5-amine
CID 79106780

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine (CID 66018457) is N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine is CCCc1nn(C)c(NC2CC2(C)C)c1[N+](=O)[O-].
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine?
The InChIKey is SCXWRGWINRMNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-6-8-10(16(17)18)11(15(4)14-8)13-9-7-12(9,2)3/h9,13H,5-7H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine?
N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine is sourced from PubChem (CID 66018457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).